4-(4-Ethynylphenyl)-1-methyl-1H-pyrazole - CAS 1578111-02-0
Catalog: |
BB011355 |
Product Name: |
4-(4-Ethynylphenyl)-1-methyl-1H-pyrazole |
CAS: |
1578111-02-0 |
Synonyms: |
4-(4-ethynylphenyl)-1-methylpyrazole; 4-(4-ethynylphenyl)-1-methylpyrazole |
IUPAC Name: | 4-(4-ethynylphenyl)-1-methylpyrazole |
Description: | 4-(4-Ethynylphenyl)-1-methyl-1H-pyrazole (CAS# 1578111-02-0) is a useful research chemical. |
Molecular Weight: | 182.22 |
Molecular Formula: | C12H10N2 |
Canonical SMILES: | CN1C=C(C=N1)C2=CC=C(C=C2)C#C |
InChI: | InChI=1S/C12H10N2/c1-3-10-4-6-11(7-5-10)12-8-13-14(2)9-12/h1,4-9H,2H3 |
InChI Key: | HKBJWVMLHVQFJG-UHFFFAOYSA-N |
LogP: | 2.06840 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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